IngredientID 68850
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one
C17H14O7
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68850
- Core Entity Id
- 131499
- Source Entity Count
- 1
- Preferred Name
- 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one
- Name En
- Pubchem Id
- 5491637
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O
- Molecular Formula
- C17H14O7
- Molecular Weight
- 330.0700
- Inchikey
- CCRPIWFQMLICCY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(12)18)9-7-24-13-6-11(19)17(23-2)16(21)14(13)15(9)20/h3-7,18-19,21H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 105.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one
Itcmdb Generated
ITX-INGREDIENT-0E7509ED504A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
330.070
Molecular Formula
C17H14O7
Fda Maximum Daily Dose (Fdamdd)
0.109
Quantitative Estimate Of Drug Likeness（Qed）
0.677